In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(4-bromo-2-thienyl)-2-[(2S,5S)-5-ethyl-2-methyl-morpholin-4-yl]ethanamine (2S)-2-(4-bromo-2-thienyl)-2-[(2…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.44 | 3.59 | -48.32 | 3 | 3 | 1 | 40 | 334.303 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 3.31 | -2.79 | 2 | 3 | 0 | 38 | 333.295 | 4 | ↓ |